ethyl 2-[methyl(pyridin-4-yl)amino]-6-(phenylmethylsulfanyl)benzoate

Systemtic Name: ethyl 2-[methyl(pyridin-4-yl)amino]-6-(phenylmethylsulfanyl)benzoate Openeye Name: ethyl 2-benzylsulfanyl-6-[methyl(4-pyridyl)amino]benzoate CAS Name: 2-[methyl(pyridin-4-yl)amino]-6-(phenylmethylthio)benzoic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-[methyl(pyridin-4-yl)amino]benzoate Traditional Name: 2-(benzylthio)-6-[methyl(4-pyridyl)amino]benzoic acid ethyl ester Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1SCC2=CC=CC=C2)N(C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1SCC2=CC=CC=C2)N(C)C3=CC=NC=C3

InChI

InChI=1S/C22H22N2O2S/c1-3-26-22(25)21-19(24(2)18-12-14-23-15-13-18)10-7-11-20(21)27-16-17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3